CID 2737124

Dimethyl tetrafluorosuccinate

Structural Information

Molecular Formula

C₆H₆F₄O₄

SMILES

COC(=O)C(C(C(=O)OC)(F)F)(F)F

InChI

InChI=1S/C6H6F4O4/c1-13-3(11)5(7,8)6(9,10)4(12)14-2/h1-2H3

InChIKey

RMXAYQBUNVSEPG-UHFFFAOYSA-N

Compound name

dimethyl 2,2,3,3-tetrafluorobutanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 150
Patents: 218.02022 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.02750	136.0
[M+Na]+	241.00944	144.5
[M-H]-	217.01294	131.6
[M+NH4]+	236.05404	154.3
[M+K]+	256.98338	145.1
[M+H-H2O]+	201.01748	128.9
[M+HCOO]-	263.01842	151.9
[M+CH3COO]-	277.03407	185.5
[M+Na-2H]-	238.99489	140.4
[M]+	218.01967	134.2
[M]-	218.02077	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe